From: Jignesh Patel (jbp087_at_gmail.com)
Date: Thu Mar 04 2010 - 11:29:03 CST
While doing NPT simulation of 1ns, after 150000 time steps I am getting
following error:
FATAL ERROR: Periodic cell has become too small for original patch grid!
Possible solutions are to restart from a recent checkpoint,
increase margin, or disable useFlexibleCell for liquid simulation.
After that I am trying to continue simulation by disabling flexibility of
cell.
But now i am getting new year as per following:
*Warning: DUPLICATE ANGLE ENTRY FOR CPH1-NR1-CPH2*
*PREVIOUS VALUES k=130 theta0=107.5 k_ub=0 r_ub=0*
* USING VALUES k=130 theta0=107 k_ub=0 r_ub=0*
*FATAL ERROR: ABNORMAL EOF FOUND - buffer=*.**
Thanking you in anticipation.
---------------------------------------------------
JIGNESH PATEL
M.S.(Pharm.) in Pharmacoinformatics,
Center for Pharmacoinformatics,
NIPER, MOHALI,
Punjab, India.
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